N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

C13H19N3O2 — CID 124698301

IUPACN-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cnccc1NC(=O)CNC[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-10-7-14-5-4-12(10)16-13(17)9-15-8-11-3-2-6-18-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H,14,16,17)/t11-/m0/s1
InChIKeyDYKXPUIBKAEWHD-NSHDSACASA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds5

About N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (PubChem CID 124698301) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
PubChem CID124698301
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cnccc1NC(=O)CNC[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-10-7-14-5-4-12(10)16-13(17)9-15-8-11-3-2-6-18-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H,14,16,17)/t11-/m0/s1
InChIKeyDYKXPUIBKAEWHD-NSHDSACASA-N
XLogP1.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685461
N-(5-methyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 126468686
2-(cyclopentylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63670868
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (CID 124698301) is N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is Cc1cnccc1NC(=O)CNC[C@@H]1CCCO1.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is DYKXPUIBKAEWHD-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-7-14-5-4-12(10)16-13(17)9-15-8-11-3-2-6-18-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H,14,16,17)/t11-/m0/s1.
What are the key properties of N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 124698301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).